SCHEMBL1177675

SCHEMBL1177675

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.37
HRH1 P35367 12/20 0.37
KCNH2 Q12809 6/20 0.37
FFAR4 Q5NUL3 3/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1177560 0.93 HRH3 (0.38) CCR3HRH1FFAR4SLC6A2SLC6A4
SCHEMBL1177492 0.92 CHRNA3 (0.36) CCR3HRH1KCNH2FFAR4
SCHEMBL1177812 0.89 PGR (0.43)
SCHEMBL1177547 0.89 EPHX2 (0.36) CCR3HRH1KCNH2
SCHEMBL1177848 0.87 CCR3 (0.37) CCR3HRH1KCNH2FFAR4KDM4E
SCHEMBL1178276 0.86 KDM2B (0.38) KCNH2
SCHEMBL1178133 0.86 EPHX2 (0.36) SLC6A2SLC6A3
SCHEMBL1178503 0.86 EPHX2 (0.35) CCR3HRH1KCNH2FFAR4SLC6A2
SCHEMBL1177831 0.85 HRH1 (0.41) CCR3HRH1KCNH2
SCHEMBL1177674 0.85 PDE3B (0.36) KCNH2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-05-12 US disclosed
US-7888358-B2 Serotonine, dopamine and norendrenaline receptors; antidepressants, anxiolytic agents, eating disorders; obesity; bipolar; drug abuse; neurodegenerative diseases NEUROSEARCH A/S (DK) 2011-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 CCR3 2996/4885HRH1 770/4885KCNH2 1266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.